Geometry & MOs

Info

ID:	147411
PubChem CID:	53787067
Reduced:	NOC2H4 (2)
Stoich.:	ABC2D4 (2)
Weight, g/mol:	395.257277
ΔH_f, kcal/mol:	17.81
Dipole, Da:	2.26
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3,7-dimethylocta-2,6-dienyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC(C=NOC)N=O

DOS

IR

Vibrations